SCHEMBL6676368

SCHEMBL6676368

COc1nc2ccccc2[n+]([O-])n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
NQO2 P16083 4/20 0.41
POLB P06746 4/20 0.37
ALDH1A1 P00352 7/20 0.35
KDM4E B2RXH2 5/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
NPC1 O15118 3/20 0.35
MAPT P10636 3/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.35
MMP14 P50281 2/20 0.33
BLM P54132 2/20 0.33
CASP6 P55212 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6674064 0.80 TSHR (0.45) CRHBPCRHR2KEAP1NFE2L2NQO2
SCHEMBL6678874 0.77 CRHBP (0.52) CRHBPCRHR2KEAP1NFE2L2POLB
SCHEMBL11653613 0.77 TLR8 (0.41) CRHBPCRHR2KEAP1NFE2L2ALDH1A1
SCHEMBL6676223 0.77 CRHBP (0.40) CRHBPCRHR2KEAP1NFE2L2NQO2
SCHEMBL11602714 0.76 MAT2A (0.46) CRHBPCRHR2KEAP1NFE2L2ALDH1A1
SCHEMBL6676030 0.74 PDE5A (0.41) CRHBPCRHR2KEAP1NFE2L2MEN1
SCHEMBL6674365 0.74 CRHBP (0.39) CRHBPCRHR2KEAP1NFE2L2NQO2
SCHEMBL11175047 0.74 LTA4H (0.42) CRHBPCRHR2KEAP1NFE2L2POLB
SCHEMBL5066814 0.73 TDP1 (0.38) CRHBPCRHR2KEAP1NFE2L2POLB
SCHEMBL1651160 0.73 PDPK1 (0.42) CRHBPCRHR2KEAP1NFE2L2NQO2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1468688-A2 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments Auckland Uniservices Limited (NZ) 2004-10-20 EP claimed
US-20040192686-A1 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments AUCKLAND UNISERVICES LIMITED (NZ) 2004-09-30 US claimed
EP-1468688-A2 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments Auckland Uniservices Limited (NZ) 2004-10-20 EP disclosed
US-20040192686-A1 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments AUCKLAND UNISERVICES LIMITED (NZ) 2004-09-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040192686-A1 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments NPM1, DUOX1, NOX5 CRHBP 4700/4885CRHR2 3115/4885KEAP1 412/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.